Name: Lasalocid C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213888162
Cas No:
常用名:Lasalocid C
IUPAC:6-[(3R,4S,5S,7R)-3-ethyl-7-[(2S,3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-5-methyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
IUPAC:6-[(3R,4S,5S,7R)-3-ethyl-7-[(2S,3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-5-methyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
InChI key:PUHPUNCBWZEKHZ-LLJQAJINSA-N

分子式:C35H56O8
分子量:604.825
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](CCc1ccc(C)c(O)c1C(O)=O)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@](CC)(C[C@@H]1C)C1CC[C@](O)(CC)[C@H](C)O1
SMILES:CC[C@H](CCc1ccc(C)c(O)c1C(O)=O)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@](CC)(C[C@@H]1C)C1CC[C@](O)(CC)[C@H](C)O1

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